SCHEMBL29313804

SCHEMBL29313804

CN1CCC(O)(Cn2ccn(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3OC(=O)N(C)c3ccc(F)cc3)c2=O)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.35
SLC6A4 P31645 3/20 0.31
HTR1A P08908 2/20 0.31
DRD2 P14416 2/20 0.31
DRD1 P21728 2/20 0.31
DRD4 P21917 2/20 0.31
DRD5 P21918 2/20 0.31
SLC6A2 P23975 2/20 0.31
HTR1D P28221 2/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR7 P34969 2/20 0.31
OPRM1 P35372 2/20 0.31
DRD3 P35462 2/20 0.31
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31
HTR2B P41595 2/20 0.31
HTR6 P50406 2/20 0.31
SLC6A3 Q01959 2/20 0.31
HRH2 P25021 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29313747 0.85 POLQ (0.35) POLQTACR1
SCHEMBL29313749 0.82 POLQ (0.38) POLQTACR1
SCHEMBL29313794 0.82 POLQ (0.37) POLQSLC6A4HTR1ADRD2DRD1
SCHEMBL29313751 0.81 POLQ (0.39) POLQTACR1
SCHEMBL29313754 0.81 POLQ (0.37) POLQSLC6A4HTR1ADRD2DRD1
SCHEMBL29313752 0.80 POLQ (0.38) POLQTACR1
SCHEMBL29313795 0.79 POLQ (0.38) POLQ
SCHEMBL29313744 0.79 POLQ (0.38) POLQSLC6A4TACR1KCNH2
SCHEMBL29313704 0.79 POLQ (0.39) POLQ
SCHEMBL29313753 0.79 POLQ (0.37) POLQ

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024147972-A2 DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-07-11 WO disclosed